2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol

C6H13IO3 — CID 57156447

IUPAC2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol
SMILESCC(CO)OC(C)C(O)I
InChIInChI=1S/C6H13IO3/c1-4(3-8)10-5(2)6(7)9/h4-6,8-9H,3H2,1-2H3
InChIKeyDFTZITPWNLZVHQ-UHFFFAOYSA-N
MW260.07 g/mol
LogP0.53
Rot. Bonds4

About 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol

2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol (PubChem CID 57156447) has the molecular formula C6H13IO3 and a molecular weight of 260.07 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol
PubChem CID57156447
Molecular FormulaC6H13IO3
Molecular Weight260.07 g/mol
Exact Mass259.99
IUPAC Name2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol
SMILESCC(CO)OC(C)C(O)I
InChIInChI=1S/C6H13IO3/c1-4(3-8)10-5(2)6(7)9/h4-6,8-9H,3H2,1-2H3
InChIKeyDFTZITPWNLZVHQ-UHFFFAOYSA-N
XLogP0.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
2-[2,3-bis(1-hydroxypropan-2-yloxy)propoxy]propan-1-ol
CID 59464535
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 175979976
1-iodoethanol;propane-1,2,3-triol
CID 175431347
2-Hydroxy-1-methylethyldioxy
CID 132575456
propane-1,2-diol
CID 23506506
methoxymethane;propane-1,2-diol
CID 23435252
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol (CID 57156447) is 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol is CC(CO)OC(C)C(O)I.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol?
The InChIKey is DFTZITPWNLZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO3/c1-4(3-8)10-5(2)6(7)9/h4-6,8-9H,3H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol?
2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol has a molecular weight of 260.07 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol is sourced from PubChem (CID 57156447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).